Vitas-M small molecule compound

4-{5-[(Z)-{2,4-dioxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}-3-methylbenzoic acid

Catalog ID
STK165737
SMILES O=C1S/C(=C\c2ccc(o2)c2ccc(cc2C)C(=O)O)/C(=O)N1CC(=O)N1CCN(CC1)c1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C28H25N3O6S MW 531.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O6S/c1-18-15-19(27(34)35)7-9-22(18)23-10-8-21(37-23)16-24-26(33)31(28(36)38-24)17-25(32)30-13-11-29(12-14-30)20-5-3-2-4-6-20/h2-10,15-16H,11-14,17H2,1H3,(H,34,35)/b24-16-
InChIKey
YYUMVOOVQQFBDY-JLPGSUDCSA-N
Synonyms

4(5((Z)(24DIOXO3(2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)3METHYLBENZOICACID
CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCN(CC4)C5=CC=CC=C5
InChI=1SC28H25N3O6Sc1181519(27(34)35)7922(18)2310821(3723)162426(33)31(28(36)3824)1725(32)30131129(121430)205324620h2101516H111417H21H3(H3435)b2416
MFCD07115273
O=C1SC(=Cc2ccc(o2)c2ccc(cc2C)C(=O)O)C(=O)N1CC(=O)N1CCN(CC1)c1ccccc1
ZINC000097960457
ZINC97960457

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Available files

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